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    Technical details about CAS 1422956-31-7, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 1422956-31-7

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    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 1422956-31-7, Uw5zhq897p, Ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate;hydrate;dihydrochloride, 2-benzofurancarboxylic acid, 5-(1-piperazinyl)-, ethyl ester, (hydrochloride), hydrate (1, 2-benzofurancarboxylic acid, 5-(1-piperazinyl)-, ethyl ester, (hydrochloride), hydrate (1:2:1), Ethyl 5-(piperazin-1-yl)benzofuran-2-carboxylate dihydrochloride monohydrate
    Molecular Formula
    C15H22Cl2N2O4
    Molecular Weight
    365.2  g/mol
    InChI Key
    GOKCUPVWRIMFNJ-UHFFFAOYSA-N
    FDA UNII
    UW5ZHQ897P
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate;hydrate;dihydrochloride
    2.1.2 InChI
    InChI=1S/C15H18N2O3.2ClH.H2O/c1-2-19-15(18)14-10-11-9-12(3-4-13(11)20-14)17-7-5-16-6-8-17;;;/h3-4,9-10,16H,2,5-8H2,1H3;2*1H;1H2
    2.1.3 InChI Key
    GOKCUPVWRIMFNJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCNCC3.O.Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    UW5ZHQ897P
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1422956-31-7

    2. Uw5zhq897p

    3. Ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate;hydrate;dihydrochloride

    4. 2-benzofurancarboxylic Acid, 5-(1-piperazinyl)-, Ethyl Ester, (hydrochloride), Hydrate (1

    5. 2-benzofurancarboxylic Acid, 5-(1-piperazinyl)-, Ethyl Ester, (hydrochloride), Hydrate (1:2:1)

    6. Ethyl 5-(piperazin-1-yl)benzofuran-2-carboxylate Dihydrochloride Monohydrate

    7. 2-benzofurancarboxylic Acid, 5-(1-piperazinyl)-, Ethyl Ester, Hydrochloride, Hydrate (1:2:1)

    8. Unii-uw5zhq897p

    9. Bcp12349

    10. Cs-m1931

    11. Xgc95631

    12. Cs-13596

    13. 5-(1-piperazinyl)-2-benzofurancarboxylic Acid Ethyl Ester 2hcl Hydrate

    14. 5-(1-piperazinyl)-2-benzofurancarboxylicacidethylesterdihydrochloridehydrate

    15. 2-benzofurancarboxylic Acid,5-(1-piperazinyl)-,ethyl Ester,(hydrochloride),hydrate (1:2:1)

    16. 2-benzofurancarboxylic Acid, 5-(1-piperazinyl)-, Ethyl Ester, (hcl), Hydrate (1:2:1)

    2.4 Create Date
    2014-10-10
    3 Chemical and Physical Properties
    Molecular Weight 365.2 g/mol
    Molecular Formula C15H22Cl2N2O4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass364.0956626 g/mol
    Monoisotopic Mass364.0956626 g/mol
    Topological Polar Surface Area55.7 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity344
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count4
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